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Home > Imidazoles > 89838-85-7
89838-85-7 | Hexanoic acid, 6-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-, ethyl ester
CAS No: 89838-85-7 Catalog No: AG003XLX MDL No:
Product Description
Catalog Number:
AG003XLX
Chemical Name:
Hexanoic acid, 6-[(1,4,5-triphenyl-1H-imidazol-2-yl)oxy]-, ethyl ester
CAS Number:
89838-85-7
Molecular Formula:
C29H30N2O3
Molecular Weight:
454.5601
IUPAC Name:
ethyl 6-(1,4,5-triphenylimidazol-2-yl)oxyhexanoate
InChI:
InChI=1S/C29H30N2O3/c1-2-33-26(32)21-13-6-14-22-34-29-30-27(23-15-7-3-8-16-23)28(24-17-9-4-10-18-24)31(29)25-19-11-5-12-20-25/h3-5,7-12,15-20H,2,6,13-14,21-22H2,1H3
InChI Key:
ZZPLHDDZCSZACK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCCOc1nc(c(n1c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
582
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.226g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
454.57g/mol
Monoisotopic Mass:
454.226g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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